Toluene

Toluene

SCHEMBL1650313

CCC(=O)O.Cc1ccccc1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
ALOX12 P18054 1/20 0.58
ACHE P22303 1/20 0.58
FFAR3 O14843 1/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.44
AKR1B1 P15121 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HSD11B1 P28845 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Toluene SCHEMBL27592105 1.00 LMNA (0.58) LMNATSHRALOX12ACHEFFAR3
Toluene SCHEMBL10706293 0.97 LMNA (0.55) LMNATSHRALOX12ACHEFFAR3
Naphthalene SCHEMBL27294073 0.93 LMNA (0.50) LMNATSHRALOX12ACHEFFAR3
P-Xylene SCHEMBL27949447 0.89 FFAR3 (0.59) LMNAACHEFFAR3CES2CES1
Toluene SCHEMBL170599 0.87 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9639878 0.87 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL6344517 0.87 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL11241972 0.87 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL9640429 0.87 LMNA (0.55) LMNATSHRALOX12ACHECES2
Toluene SCHEMBL28204715 0.87 LMNA (0.55) LMNATSHRALOX12ACHECES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478314-A Synthesis method of fenoxanil 江苏长青农化股份有限公司 2022-05-13 CN claimed
CN-106832000-A A kind of many peptidoliposomes that pattern conversion can occur in tumour cell lysosome 国家纳米科学中心 2017-06-13 CN claimed
CN-105198692-B A kind of asymmetry catalysis synthesize the method for (S) ar-curcumene 中国农业大学 2017-03-29 CN claimed
CN-105198722-B Method for asymmetrically catalyzing and synthesizing (R)-4, 7-dimethyl-1-tetralone 中国农业大学 2017-03-22 CN claimed
CN-104478736-B A kind of preparation method of cinacalcet hydrochloride 成都启泰医药技术有限公司 2016-07-13 CN claimed
CN-105198692-A Method for asymmetrically catalyzing and synthesizing (S)-curcumene UNIV CHINA AGRICULTURAL 2015-12-30 CN claimed
CN-105198722-A Method for asymmetrically catalyzing and synthesizing (R)-4, 7-dimethyl-1-tetralone UNIV CHINA AGRICULTURAL 2015-12-30 CN claimed
CN-103787855-B The novel method of asymmetry catalysis synthesis (S)-aryl turmerone CHINA AGRICULTURAL UNIVERSITY (CN) 2015-08-19 CN claimed
CN-103787855-A Novel method for asymmetrically catalyzing (S)-arturmerone UNIV CHINA AGRICULTURAL 2014-05-14 CN claimed
CN-103265426-A Environment-friendly preparation method of 2 - (4 - Bromomethylphenyl) propionic acid based on two-phase free radical reaction FUJIAN SANTAI BIOLOG PHARMACY CO LTD 2013-08-28 CN claimed
CN-102812033-A N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INST MATERIA MEDICA CAMS 2012-12-05 CN claimed
CN-101705484-A Method for coating metallic surfaces with a composition that is rich in polymers CHEMETALL GMBH 2010-05-12 CN claimed
CN-1798813-A Method for coating metal surfaces with polymer-rich compositions CHEMETALL GMBH (DE) 2006-07-05 CN claimed
CN-1777699-A Method for coating metal surfaces with silane-rich compositions CHEMETALL GMBH (DE) 2006-05-24 CN claimed
CN-1046200-C Inflammation diminishing and pain easing plaster and making of same HISAMITSU PHARMACEUTICAL CO (JP) 1999-11-10 CN claimed
CN-1087515-A Inflammation diminishing and pain easing plaster and manufacture method thereof HISAMITSU PHARMACEUTICAL CO (JP) 1994-06-08 CN claimed
CN-112682031-B Oil field interwell tracer, tracing method and fracturing fluid 中国石油化工股份有限公司 2024-06-28 CN disclosed
CN-114478314-A Synthesis method of fenoxanil 江苏长青农化股份有限公司 2022-05-13 CN disclosed
US-5039654-A Applying solutions of organometallic compounds, then repeated roasting to form ceramic film DIRECTOR-GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1991-08-13 US disclosed
EP-0277020-A2 Method of preparing a superconductive material Director-General of the Agency of Industrial Science and Technology (JP) 1988-08-03 EP disclosed